N-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide Formula: C24H27N3O4S2 MolecularWeight: 485.61888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4CCCCC4)OC

InChI

InChI=1S/C24H27N3O4S2/c1-30-19-11-8-15(12-20(19)31-2)23(29)26-17-9-10-18-21(13-17)33-24(27-18)32-14-22(28)25-16-6-4-3-5-7-16/h8-13,16H,3-7,14H2,1-2H3,(H,25,28)(H,26,29)